N-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide

C11H18F2N2 — CID 144415055

IUPACN-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide
SMILESCC/C=C\C(=C/CC(C)(F)F)\NC=NC
InChIInChI=1S/C11H18F2N2/c1-4-5-6-10(15-9-14-3)7-8-11(2,12)13/h5-7,9H,4,8H2,1-3H3,(H,14,15)/b6-5-,10-7+
InChIKeyICBTYEUNCPSJTC-ZZWPSLBBSA-N
MW216.27 g/mol
LogP2.80
Rot. Bonds6

About N-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide

N-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide (PubChem CID 144415055) has the molecular formula C11H18F2N2 and a molecular weight of 216.27 g/mol. Its IUPAC name is N-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide
PubChem CID144415055
Molecular FormulaC11H18F2N2
Molecular Weight216.27 g/mol
Exact Mass216.14
IUPAC NameN-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide
SMILESCC/C=C\C(=C/CC(C)(F)F)\NC=NC
InChIInChI=1S/C11H18F2N2/c1-4-5-6-10(15-9-14-3)7-8-11(2,12)13/h5-7,9H,4,8H2,1-3H3,(H,14,15)/b6-5-,10-7+
InChIKeyICBTYEUNCPSJTC-ZZWPSLBBSA-N
XLogP2.80
TPSA24.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity255

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(1-fluoropropyl)-6-methylidene-1H-pyrimidine
CID 144606019
N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide
CID 166838186
(4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1H-imidazole
CID 144415068
4-Methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline
CID 149166937
N'-[(3Z,5Z)-8,8-difluoroocta-1,3,5-trien-3-yl]methanimidamide
CID 164558249
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3-dien-2-yl]methanimidamide
CID 135208586
N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylmethanimidamide
CID 135243160
N'-ethyl-N-[(3Z)-hexa-1,3-dien-2-yl]methanimidamide
CID 138528224
N'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide
CID 146356832
N-[(3E)-hexa-3,5-dien-3-yl]-N'-methylmethanimidamide
CID 148226109
N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide
CID 154967938

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide (CID 144415055) is N-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide is CC/C=C\C(=C/CC(C)(F)F)\NC=NC.
What is the InChIKey of N-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide?
The InChIKey is ICBTYEUNCPSJTC-ZZWPSLBBSA-N. The full InChI is InChI=1S/C11H18F2N2/c1-4-5-6-10(15-9-14-3)7-8-11(2,12)13/h5-7,9H,4,8H2,1-3H3,(H,14,15)/b6-5-,10-7+.
What are the key properties of N-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide?
N-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide has a molecular weight of 216.27 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 144415055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).